(7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

C20H17NO7 — CID 139619879

IUPAC(7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILESCC(=O)[C@]1(N)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1ccccc1C3=O
InChIInChI=1S/C20H17NO7/c1-7(22)20(21)6-10(23)11-14(19(20)28)18(27)13-12(17(11)26)15(24)8-4-2-3-5-9(8)16(13)25/h2-5,10,19,23,26-28H,6,21H2,1H3/t10-,19+,20+/m0/s1
InChIKeySDTATQDCKKISBW-BHHOUSDISA-N
MW383.36 g/mol
LogP0.63
Rot. Bonds1

About (7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

(7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione (PubChem CID 139619879) has the molecular formula C20H17NO7 and a molecular weight of 383.36 g/mol. Its IUPAC name is (7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.

Molecular Properties

Compound Name(7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
PubChem CID139619879
Molecular FormulaC20H17NO7
Molecular Weight383.36 g/mol
Exact Mass383.10
IUPAC Name(7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILESCC(=O)[C@]1(N)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1ccccc1C3=O
InChIInChI=1S/C20H17NO7/c1-7(22)20(21)6-10(23)11-14(19(20)28)18(27)13-12(17(11)26)15(24)8-4-2-3-5-9(8)16(13)25/h2-5,10,19,23,26-28H,6,21H2,1H3/t10-,19+,20+/m0/s1
InChIKeySDTATQDCKKISBW-BHHOUSDISA-N
XLogP0.63
TPSA158.15 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 50.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze (7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
The IUPAC name of (7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione (CID 139619879) is (7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
What is the SMILES notation for (7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
The canonical SMILES for (7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione is CC(=O)[C@]1(N)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1ccccc1C3=O.
What is the InChIKey of (7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
The InChIKey is SDTATQDCKKISBW-BHHOUSDISA-N. The full InChI is InChI=1S/C20H17NO7/c1-7(22)20(21)6-10(23)11-14(19(20)28)18(27)13-12(17(11)26)15(24)8-4-2-3-5-9(8)16(13)25/h2-5,10,19,23,26-28H,6,21H2,1H3/t10-,19+,20+/m0/s1.
What are the key properties of (7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
(7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione has a molecular weight of 383.36 g/mol, XLogP of 0.63, 1 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9S,10R)-9-acetyl-9-amino-6,7,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione is sourced from PubChem (CID 139619879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).